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Substance Name: Pregnenolone sulfate
RN: 1247-64-9
UNII: 04Y4D91RG0
InChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-N

Molecular Formula

  • C21-H32-O5-S

Molecular Weight

  • 396.5448
 
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Names and Synonyms

Name of Substance

  • Pregnenolone sulfate

Synonyms

  • (3beta)-3-(sulfooxy)pregn-5-en-20-one
  • 5-Pregnen-3beta-ol-20-one sulfate
  • Pregnenolone sulfate
  • UNII-04Y4D91RG0

Systematic Name

  • Pregn-5-en-20-one, 3-(sulfooxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 1247-64-9

FDA UNII

  • 04Y4D91RG0

System Generated Number

  • 0001247649

Structure Descriptors

InChI

InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

DIJBBUIOWGGQOP-QGVNFLHTSA-N

Smiles

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O